SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3bwk'

List of Similar Pattern of Amino Acids

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click on the DrReposER ID to view details on interfaces and similar patterns of amino acids)
(Click on the view link on the last column to view superposed patterns of amino acids)
Filter list by:
DrReposER ID / Desc. Hit
PDBID		 Hit
Macromolecule		 Res.
Matches		 Interface HETATM RMSD Dali
Z-score		 Seq.
Identity (%)		 View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1N2X_B_SAMB402_1
(S-ADENOSYL-METHYLTRA
NSFERASE MRAW)		 3bwk CYSTEINE PROTEASE
FALCIPAIN-3
(Plasmodium
falciparum) 		4 / 5 VAL A  57
SER A  56
ASP A  44
GLN A 110
 None
 1.45A 1n2xB-3bwkA:
undetectable		 1n2xB-3bwkA:
23.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1STF_E_CCSE25_0
(PAPAIN
STEFIN B (CYSTATIN
B))		 3bwk CYSTEINE PROTEASE
FALCIPAIN-3
(Plasmodium
falciparum) 		7 / 10 GLN A  45
GLY A  49
SER A  50
PHE A  54
SER A  55
ALA A 184
GLY A  91
 C1P  A 300 (-3.2A)
C1P  A 300 (-3.6A)
None
None
None
C1P  A 300 ( 4.1A)
C1P  A 300 (-3.2A)
 1.30A 1stfE-3bwkA:
28.4
1stfI-3bwkA:
undetectable		 1stfE-3bwkA:
34.92
1stfI-3bwkA:
15.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1STF_E_CCSE25_0
(PAPAIN
STEFIN B (CYSTATIN
B))		 3bwk CYSTEINE PROTEASE
FALCIPAIN-3
(Plasmodium
falciparum) 		8 / 10 GLN A  45
GLY A  49
SER A  50
TRP A  52
PHE A  54
SER A  55
HIS A 183
ALA A 184
 C1P  A 300 (-3.2A)
C1P  A 300 (-3.6A)
None
None
None
None
C1P  A 300 (-3.7A)
C1P  A 300 ( 4.1A)
 0.29A 1stfE-3bwkA:
28.4
1stfI-3bwkA:
undetectable		 1stfE-3bwkA:
34.92
1stfI-3bwkA:
15.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1TKQ_B_DVAB8_0
(GRAMICIDIN A)		 3bwk CYSTEINE PROTEASE
FALCIPAIN-3
(Plasmodium
falciparum) 		4 / 5 VAL A  57
GLY A  58
VAL A  60
TRP A  33
 None
 1.13A 1tkqB-3bwkA:
undetectable		 1tkqB-3bwkA:
5.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNH_B_9CRB502_1
(CYTOCHROME P450 2C8)		 3bwk CYSTEINE PROTEASE
FALCIPAIN-3
(Plasmodium
falciparum) 		5 / 10 ILE A 240
ILE A 159
LEU A 227
ASN A 226
ILE A 210
 None
 1.23A 2nnhB-3bwkA:
undetectable		 2nnhB-3bwkA:
18.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XYT_D_TC9D1206_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		 3bwk CYSTEINE PROTEASE
FALCIPAIN-3
(Plasmodium
falciparum) 		4 / 7 TRP A 215
TYR A 173
GLU A 221
TYR A 168
 C1P  A 300 (-4.0A)
None
None
None
 1.31A 2xytD-3bwkA:
0.0		 2xytD-3bwkA:
18.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XYT_G_TC9G1206_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		 3bwk CYSTEINE PROTEASE
FALCIPAIN-3
(Plasmodium
falciparum) 		4 / 7 TRP A 215
TYR A 173
GLU A 221
TYR A 168
 C1P  A 300 (-4.0A)
None
None
None
 1.46A 2xytG-3bwkA:
0.0		 2xytG-3bwkA:
18.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AI8_A_HNQA255_1
(CATHEPSIN B)		 3bwk CYSTEINE PROTEASE
FALCIPAIN-3
(Plasmodium
falciparum) 		4 / 7 GLN A  45
GLY A  49
HIS A 183
TRP A 215
 C1P  A 300 (-3.2A)
C1P  A 300 (-3.6A)
C1P  A 300 (-3.7A)
C1P  A 300 (-4.0A)
 0.41A 3ai8A-3bwkA:
25.0		 3ai8A-3bwkA:
27.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AT0_A_ACTA1490_0
(3-KETOSTEROID-DELTA4
-5ALPHA-DEHYDROGENAS
E)		 3bwk CYSTEINE PROTEASE
FALCIPAIN-3
(Plasmodium
falciparum) 		3 / 3 GLU A 130
TYR A 132
SER A 109
 None
 0.88A 4at0A-3bwkA:
undetectable		 4at0A-3bwkA:
19.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EYS_A_ACTA402_0
(MCCC FAMILY PROTEIN)		 3bwk CYSTEINE PROTEASE
FALCIPAIN-3
(Plasmodium
falciparum) 		4 / 6 ASP A 112
SER A 109
ARG A 131
GLU A  78
 None
 1.15A 4eysA-3bwkA:
undetectable		 4eysA-3bwkA:
20.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MDB_A_RLTA401_1
(MARINER MOS1
TRANSPOSASE)		 3bwk CYSTEINE PROTEASE
FALCIPAIN-3
(Plasmodium
falciparum) 		4 / 6 ASP A 163
ASN A 182
ALA A 160
ASP A 164
 None
C1P  A 300 (-3.6A)
None
None
 1.11A 4mdbA-3bwkA:
undetectable		 4mdbA-3bwkA:
20.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5L66_K_BO2K301_1
(PROTEASOME SUBUNIT
BETA
TYPE-8,PROTEASOME
SUBUNIT BETA TYPE-5
PROTEASOME SUBUNIT
BETA
TYPE-6,PROTEASOME
SUBUNIT BETA
TYPE-1,PROTEASOME
SUBUNIT BETA
TYPE-6,PROTEASOME
SUBUNIT BETA
TYPE-1,PROTEASOME
SUBUNIT BETA TYPE-6)		 3bwk CYSTEINE PROTEASE
FALCIPAIN-3
(Plasmodium
falciparum) 		5 / 10 ALA A  53
SER A  56
GLY A  91
ASP A 100
SER A  83
 None
None
C1P  A 300 (-3.2A)
None
None
 1.23A 5l66K-3bwkA:
undetectable
5l66L-3bwkA:
undetectable		 5l66K-3bwkA:
22.71
5l66L-3bwkA:
21.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5L66_Y_BO2Y301_1
(PROTEASOME SUBUNIT
BETA
TYPE-8,PROTEASOME
SUBUNIT BETA TYPE-5
PROTEASOME SUBUNIT
BETA
TYPE-6,PROTEASOME
SUBUNIT BETA
TYPE-1,PROTEASOME
SUBUNIT BETA
TYPE-6,PROTEASOME
SUBUNIT BETA
TYPE-1,PROTEASOME
SUBUNIT BETA TYPE-6)		 3bwk CYSTEINE PROTEASE
FALCIPAIN-3
(Plasmodium
falciparum) 		5 / 10 ALA A  53
SER A  56
GLY A  91
ASP A 100
SER A  83
 None
None
C1P  A 300 (-3.2A)
None
None
 1.24A 5l66Y-3bwkA:
undetectable
5l66Z-3bwkA:
undetectable		 5l66Y-3bwkA:
22.71
5l66Z-3bwkA:
21.26